6-tert-butylpyrimidine-2,4-diamine

C8H14N4 — CID 2777590

IUPAC6-tert-butylpyrimidine-2,4-diamine
SMILESCC(C)(C)c1cc(N)nc(N)n1
InChIInChI=1S/C8H14N4/c1-8(2,3)5-4-6(9)12-7(10)11-5/h4H,1-3H3,(H4,9,10,11,12)
InChIKeyVNQNQIXFWUDBDX-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.94
Rot. Bonds

About 6-tert-butylpyrimidine-2,4-diamine

6-tert-butylpyrimidine-2,4-diamine (PubChem CID 2777590) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 6-tert-butylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butylpyrimidine-2,4-diamine
PubChem CID2777590
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name6-tert-butylpyrimidine-2,4-diamine
SMILESCC(C)(C)c1cc(N)nc(N)n1
InChIInChI=1S/C8H14N4/c1-8(2,3)5-4-6(9)12-7(10)11-5/h4H,1-3H3,(H4,9,10,11,12)
InChIKeyVNQNQIXFWUDBDX-UHFFFAOYSA-N
XLogP0.94
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butylpyrimidine-2,4-diamine?
The IUPAC name of 6-tert-butylpyrimidine-2,4-diamine (CID 2777590) is 6-tert-butylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-tert-butylpyrimidine-2,4-diamine?
The canonical SMILES for 6-tert-butylpyrimidine-2,4-diamine is CC(C)(C)c1cc(N)nc(N)n1.
What is the InChIKey of 6-tert-butylpyrimidine-2,4-diamine?
The InChIKey is VNQNQIXFWUDBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-8(2,3)5-4-6(9)12-7(10)11-5/h4H,1-3H3,(H4,9,10,11,12).
What are the key properties of 6-tert-butylpyrimidine-2,4-diamine?
6-tert-butylpyrimidine-2,4-diamine has a molecular weight of 166.23 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylpyrimidine-2,4-diamine is sourced from PubChem (CID 2777590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).